Materials Data on Y3I7O by Materials Project
Abstract
Y3OI7 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of two Y3OI7 sheets oriented in the (0, 0, 1) direction. Y3+ is bonded to one O2- and five I1- atoms to form distorted edge-sharing YI5O octahedra. The Y–O bond length is 2.21 Å. There are a spread of Y–I bond distances ranging from 3.03–3.22 Å. O2- is bonded in a trigonal non-coplanar geometry to three equivalent Y3+ atoms. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted T-shaped geometry to three equivalent Y3+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Y3+ atoms. In the third I1- site, I1- is bonded in a water-like geometry to two equivalent Y3+ atoms. In the fourth I1- site, I1- is bonded in a water-like geometry to two equivalent Y3+ atoms. In the fifth I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Y3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-753727
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Y3I7O; I-O-Y
- OSTI Identifier:
- 1289116
- DOI:
- https://doi.org/10.17188/1289116
Citation Formats
The Materials Project. Materials Data on Y3I7O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289116.
The Materials Project. Materials Data on Y3I7O by Materials Project. United States. doi:https://doi.org/10.17188/1289116
The Materials Project. 2020.
"Materials Data on Y3I7O by Materials Project". United States. doi:https://doi.org/10.17188/1289116. https://www.osti.gov/servlets/purl/1289116. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1289116,
title = {Materials Data on Y3I7O by Materials Project},
author = {The Materials Project},
abstractNote = {Y3OI7 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of two Y3OI7 sheets oriented in the (0, 0, 1) direction. Y3+ is bonded to one O2- and five I1- atoms to form distorted edge-sharing YI5O octahedra. The Y–O bond length is 2.21 Å. There are a spread of Y–I bond distances ranging from 3.03–3.22 Å. O2- is bonded in a trigonal non-coplanar geometry to three equivalent Y3+ atoms. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted T-shaped geometry to three equivalent Y3+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Y3+ atoms. In the third I1- site, I1- is bonded in a water-like geometry to two equivalent Y3+ atoms. In the fourth I1- site, I1- is bonded in a water-like geometry to two equivalent Y3+ atoms. In the fifth I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Y3+ atoms.},
doi = {10.17188/1289116},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}